SCHEMBL5190702

SCHEMBL5190702

COc1ccc(CNC(=O)CC2CNCCN2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
WDR5 P61964 3/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5190550 0.90 ALDH1A1 (0.53) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5190305 0.82 ALDH1A1 (0.54) GAALMNAMEN1KMT2ATSHR
SCHEMBL5192873 0.81 LMNA (0.47) GAALMNAMEN1KMT2AKDM4E
SCHEMBL5191071 0.81 LMNA (0.47) GAALMNAMEN1KMT2A
SCHEMBL5192029 0.81 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1
SCHEMBL5192513 0.81 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1
SCHEMBL5193168 0.79 RAB9A (0.47) GAALMNAKMT2ATSHRALDH1A1
SCHEMBL5193999 0.79 ALDH1A1 (0.46) GAALMNAALDH1A1
SCHEMBL5193058 0.78 KMT2A (0.45) LMNAMEN1KMT2AALDH1A1
SCHEMBL5190181 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed